(1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

C7H8BrN3OS — CID 146393482

IUPAC(1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESBrc1nnc(N2C[C@H]3C[C@@H]2CO3)s1
InChIInChI=1S/C7H8BrN3OS/c8-6-9-10-7(13-6)11-2-5-1-4(11)3-12-5/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKeyVDWBDXDARORXBO-RFZPGFLSSA-N
MW262.13 g/mol
LogP1.28
Rot. Bonds1

About (1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

(1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 146393482) has the molecular formula C7H8BrN3OS and a molecular weight of 262.13 g/mol. Its IUPAC name is (1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID146393482
Molecular FormulaC7H8BrN3OS
Molecular Weight262.13 g/mol
Exact Mass260.96
IUPAC Name(1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESBrc1nnc(N2C[C@H]3C[C@@H]2CO3)s1
InChIInChI=1S/C7H8BrN3OS/c8-6-9-10-7(13-6)11-2-5-1-4(11)3-12-5/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKeyVDWBDXDARORXBO-RFZPGFLSSA-N
XLogP1.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 130660302
2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazole-5-carbaldehyde
CID 130769878
(1R,4S)-5-(5-bromopyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129322117
[5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol
CID 153363260
4-chloro-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazole-5-carbaldehyde
CID 130861589
5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 126853540
5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 121020713
1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol
CID 106670876
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine
CID 131187094
(1S,4S)-5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169246358
5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 131048767
5-(4-tert-butylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129268436

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 146393482) is (1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is Brc1nnc(N2C[C@H]3C[C@@H]2CO3)s1.
What is the InChIKey of (1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is VDWBDXDARORXBO-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H8BrN3OS/c8-6-9-10-7(13-6)11-2-5-1-4(11)3-12-5/h4-5H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
(1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 262.13 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 146393482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).